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TitleMolecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations.
Journal, issue, pagesMol. Cancer Ther., Vol. 20, Page 2446-2456, Year 2021
Publish dateSep 30, 2021 (structure data deposition date)
AuthorsMurray, B.W. / Rogers, E. / Zhai, D. / Deng, W. / Chen, X. / Sprengeler, P.A. / Zhang, X. / Graber, A. / Reich, S.H. / Stopatschinskaja, S. ...Murray, B.W. / Rogers, E. / Zhai, D. / Deng, W. / Chen, X. / Sprengeler, P.A. / Zhang, X. / Graber, A. / Reich, S.H. / Stopatschinskaja, S. / Solomon, B. / Besse, B. / Drilon, A.
External linksMol. Cancer Ther. / PubMed:34625502
MethodsX-ray diffraction
Resolution2.55 - 2.9 Å
Structure data

PDB-7vkm:
Crystal structure of TrkA (G595R) kinase domain
Method: X-RAY DIFFRACTION / Resolution: 2.55 Å

PDB-7vkn:
Crystal structure of TrkA (G595R) kinase with repotrectinib
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-7vko:
Crystal structure of TrkA kinase with repotrectinib
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

Chemicals

ChemComp-HOH:
WATER

ChemComp-7GI:
Repotrectinib / medication, anticancer*YM

ChemComp-SO4:
SULFATE ION

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / TRK / NTRK / macrocyclic inhibitor / drug resistance / repotrectinib

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